CID 177793411

2-{[(tert-butoxy)carbonyl]amino}-2-(1h-pyrazol-4-yl)acetic acid

Structural Information

Molecular Formula
C10H15N3O4
SMILES
CC(C)(C)OC(=O)NC(C1=CNN=C1)C(=O)O
InChI
InChI=1S/C10H15N3O4/c1-10(2,3)17-9(16)13-7(8(14)15)6-4-11-12-5-6/h4-5,7H,1-3H3,(H,11,12)(H,13,16)(H,14,15)
InChIKey
CSLGZWSBNVBRAR-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(1H-pyrazol-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

241.10626 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.113536 154.6
[M+Na]+ 264.095478 159.6
[M-H]- 240.098984 153.0
[M+NH4]+ 259.140083 169.2
[M+K]+ 280.069418 158.8
[M+H-H2O]+ 224.103520 147.7
[M+HCOO]- 286.104461 171.7
[M+CH3COO]- 300.120111 187.1
[M+Na-2H]- 262.080926 156.9
[M]+ 241.10571142 153.6
[M]- 241.10680858 153.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.